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Experimental and computational optimization of Prussian blue analogues as high-performance cathodes for sodium-ion batteries:A review

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Journal of Energy Chemistry 2024年第6期93卷 627-662,I0015页

作者： Gwangeon Oh junghoon Kim Shivam Kansara Hyokyeong Kang Hun-gi jung Yang-Kook Sun Jang-Yeon Hwang Department of Energy Engineering Hanyang UniversitySeoul 04763Republic of Korea Energy Storage Research Center Clean Energy Research DivisionKorea Institute of Science and TechnologySeoul 02792Republic of Korea Department of Energy Science Sungkyunkwan UniversitySuwon 16419Republic of Korea KIST-SKKU Carbon-Neutral Research Center Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Battery Engineering Hanyang UniversitySeoul 04763Republic of Korea

In this review,we discuss the electrochemical properties of Prussian blue(PB)for Na^(+)storage by combining structural engineering and electrolyte *** integrated experimental data and density functional theory(DFT)in sodium-ion battery(SIB)research to refine the atomic arrangements and crystal lattices and introduce substitutions and *** changes affect the lattice stability,intercalation,electronic and ionic conductivities,and electrochemical *** unraveled the intricate structure-electrochemical behavior relationship by combining experimental data with computational models,including first-principles *** holistic approach identified techniques for optimizing PB and Prussian blue analog(PBA)structu ral properties for *** also discuss the tuning of electrolytes by systematically adjusting their composition,concentration,and additives using a combination of molecular dynamics(MD)simulations and DFT *** review offers a comprehensive assessment of strategies for enhancing the electrochemical properties of PB and PBAs through structural engineering and electrolyte modifications,combining experimental insights with advanced computational simulations,and paving the way for next-generation energy storage systems.

关键词： Prussian blue analogs(PBAs) Sodium ion batteries(SIBs) Structural engineering Electrolyte modifications Experiments Density functional theory(DFT)

A Cu-Pd alloy catalyst with partial phase separation for the electrochemical CO_(2) reduction reaction

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Journal of Energy Chemistry 2024年第6期93卷 8-15,I0001页

作者： Gyeong Ho Han jung Yong Seo Minji Kang Myung-gi Seo Youngheon Choi Soo Young Kim Sang Hyun Ahn School of Chemical Engineering and Material Science Chung-Ang UniversitySeoul 06974Republic of Korea Lotte Chemical Institute of Technology Daejeon 34110Republic of Korea Department of Materials Science and Engineering Korea UniversitySeoul 02841Republic of Korea

Cu catalysts can convert CO_(2) through an electrochemical reduction reaction into a variety of useful carbon-based ***,this capability provides an obstacle to increasing the selectivity for a single ***,we report a simple fabrication method for a Cu-Pd alloy catalyst for use in a membrane electrode assembly(MEA)-based CO_(2) electrolyzer for the electrochemical CO_(2) reduction reaction(ECRR)with high selectivity for CO *** the composition of the Cu-Pd alloy catalyst was fabricated at 6:4,the selectivity for CO increased and the production of multi-carbon compounds and hydrogen is *** a Cu-Pd alloy catalyst with 6:4 ratio as the cathode of the MEAbased CO_(2) electrolyzer showed a CO faradaic efficiency of 92.8%at 2.4 V_(cell).We assumed that these results contributed from the crystal planes on the surface of the Cu-Pd *** phases of the Cu-Pd alloy catalyst were partially separated through annealing to fabricate a catalyst with high selectivity for CO at low voltage and C_(2)H_4 at high *** results of CO-stripping testing confirmed that when Cu partially separates from the lattice of the Cu-Pd alloy,the desorption of~*CO is suppressed,suggesting that C-C coupling reaction is favored.

关键词： Cu-Pd catalyst Electrodeposition Electrochemical carbon dioxide reduction Partial phase separation Membrane electrode assembly-based electrolyzer

Impact of Transition Metal Layer Vacancy on the Structure and Performance of P2 Type Layered Sodium Cathode Material

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Nano-Micro Letters 2024年第11期16卷 340-358页

作者： Orynbay Zhanadilov Sourav Baiju Natalia Voronina Jun Ho Yu A.-Yeon Kim Hun‑gi jung Kyuwook Ihm Olivier Guillon Payam Kaghazchi Seung‑Taek Myung Department of Nanotechnology and Advanced Materials Engineering and Sejong Battery Institute Hybrid Materials Research CenterSejong University98 Gunja‑DongGwangjin‑GuSeoul 05006South Korea Institute of Energy and Climate Research‑Materials Synthesis and Processing(IEK‑1) Forschungszentrum Jülich GmbH52425 JülichGermany Center for Energy Storage Research Korea Institute of Science and TechnologySeoul 02792South Korea KIST‑SKKU Carbon‑Neutral Research Center Sungkyunkwan UniversitySuwon 16419South Korea Department of Energy Science Sungkyunkwan UniversitySuwon 16419South Korea Pohang Accelerator Laboratory 80 Jigokro‑127‑BeongilNam‑GuPohangGyeongbuk 37673South Korea MESA+Institute for Nanotechnology University of Twente7500 AE EnschedeThe Netherlands

This study explores the impact of introducing vacancy in the transition metal layer of rationally designed Na_(0.6)[Ni_(0.3)Ru_(0.3)Mn_(0.4)]O_(2)(NRM)cathode *** incorporation of Ru,Ni,and vacancy enhances the structural stability during extensive cycling,increases the operation voltage,and induces a capacity increase while also activating oxygen redox,respectively,in Na_(0.7)[Ni_(0.2)V_(Ni0.1)Ru_(0.3)Mn_(0.4)]O_(2)(V-NRM)*** analytical techniques including transmission electron microscopy,X-ray absorption near edge spectroscopy,operando X-ray diffraction,and operando differential electrochemical mass spectrometry are employed to assess changes in the average oxidation states and structural *** results demonstrate that V-NRM exhibits higher capacity than NRM and maintains a moderate capacity retention of 81%after 100 ***,the formation of additional lone-pair electrons in the O 2p orbital enables V-NRM to utilize more capacity from the oxygen redox validated by density functional calculation,leading to a widened dominance of the OP4 phase without releasing O_(2) *** findings offer valuable insights for the design of advanced high-capacity cathode materials with improved performance and sustainability in sodium-ion batteries.

关键词： Layered oxide Oxygen evolution Sodium battery Vacancy Cathode

Surgical Repair of Ventricular Septal Defect in Neonates: Indications and Outcomes

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Congenital Heart Disease 2024年第1期19卷 69-83页

作者： Jae Hong Lee Sungkyu Cho Jae Gun Kwak Hye Won Kwon Woong-Han Kim Mi Kyoung Song Sang-Yun Lee gi Beom Kim Eun jung Bae Department of Thoracic and Cardiovascular Surgery Research Institute for Convergence of Biomedical Science and TechnologyPusan National University Yangsan HospitalYangsanKorea Department of Thoracic and Cardiovascular Surgery Seoul National University Children’s HospitalSeoulKorea Department of Pediatrics Seoul National University Children’s HospitalSeoulKorea

Background:The optimal surgical timing and clinical outcomes of ventricular septal defect(VSD)closure in neo-nates remain *** aimed to evaluate the clinical outcomes of VSD closure in neonates(age≤30 days).Methods:We retrospectively reviewed 50 consecutive neonates who underwent VSD closure for isolated VSDs between August 2003 and June *** for the procedure included congestive heart failure/failure to thrive and pulmonary *** adverse events(MAEs)were deﬁned as the composite of all-cause mortality,reoperation,persistent atrioventricular block,and signiﬁcant(≥grade 2)valvular ***:The median age and body weight at operation were 26.0 days(interquartile range[IQR],18.8–28.3)and 3.7 kg(IQR,3.3–4.2),*** median follow-up duration was 110.4 months(IQR,56.8–165.0).Seven patients required preoperative respiratory support,andﬁve had signiﬁcant(≥grade 2)preoperative valvular *** early mortality occurred due to irreversible cardiogenic shock;no late mortality was *** reopera-tion was due to hemodynamically signiﬁcant residual VSD at 103.8 months *** overall survival,freedom from reoperation,and freedom from MAE at 15-years were 98.0%,96.3%,and 94.4%,***-operative mechanical ventilation was associated with a longer duration of postoperative mechanical ventilation(pgical VSD closure might be indicated earlier in neonates with respiratory compromise.

关键词： Ventricular septal defect neonate early surgery neonatal surgery

CO_(2)-adsorbent spongy electrode for non-aqueous Li–O_(2) batteries

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Journal of Energy Chemistry 2022年第2期31卷 646-653页

作者： Yiseul Yoo giseung Lee Min-gi Jeong Hun-gi jung Sunghee Shin Dongjin Byun Taeeun Yim Hee-Dae Lim Center for Energy Storage Research Korea Institute of Science and Technology(KIST)Hwarang-ro 14-gil 5Seongbuk-guSeoul 02792Republic of Korea Department of Materials Science and Engineering Korea University145 Anam-roSeongbuk-guSeoul 02841Republic of Korea Department of Chemistry Incheon National University119 Academy-roYeonsu-guIncheon 22012Republic of Korea Department of Chemical and Biological Engineering Korea UniversitySeoul 02841Republic of Korea

Regulation of the Li_(2)CO_(3) byproduct is the most critical challenge in the field of non-aqueous Li–O_(2) *** considerable efforts have been devoted to preventing Li_(2)CO_(3) formation,no approaches have suggested the ultimate solution of utilizing the clean Li_(2)O_(2) reaction instead of that of Li_(2)CO_(3).Even if extremely pure O_(2) is used in a Li–O_(2) cell,its complete elimination is impossible,eventually generating CO_(2) gas during *** this paper,we present the new concept of a CO_(2)-adsorbent spongy electrode(CASE),which is designed to trap the evolved CO_(2) using adsorption *** candidates composed of amine functional groups(–NH2)for capturing CO_(2) were screened,with quadrapurebenzylamine(QPBZA)exhibiting superior CO_(2)-adsorbing ability among the proposed ***,we fabricated the CASE by sandwiching QPBZA between porous carbon layers,which facilitated the transport of gaseous *** new electrode was demonstrated to effectively capture the evolved CO_(2) during charge,therefore altering the reaction pathways to the ideal *** is highly advantageous to mitigate the undesirable CO_(2) incorporation in the next discharge,resulting in improved *** novel concept of a CO_(2)-sponging electrode provides an alternative route to the realization of practically meaningful Li–O_(2) batteries.

关键词： Li-O_(2)battery Benzylamine CO_(2)adsorption Li_(2)CO_(3) Li_(2)O_(2) CO_(2)-sponging electrode

On the stacking fault forming probability and stacking fault energy in carbon-doped 17 at%Mn steels via transmission electron microscopy and atom probe tomography

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Journal of Materials Science & Technology 2022年第20期115卷 177-188页

作者： Hyo Ju Bae Kwang Kyu Ko Muhammad Ishtiaq jung gi Kim Hyokyung Sung Jae Bok Seol Department of Materials Engineering and Convergence Technology Center for K-metalGyeongsang National University(GNU)Jinju 52828South Korea

Assessing the stacking fault forming probability(P_(sf)) and stacking fault energy(SFE)in medium-or highMn base structural materials can anticipate and elucidate the microstructural evolution before and after ***,these two parameters have been determined from theoretical calculations and empirical ***,the estimation of SFE values in Fe–Mn–C ternary systems is a longstanding debate due to the complicated nature of carbon:that is,whether the carbon doping indeed plays an important role in the formation of stacking faults;and how the amount of carbon atoms exist at grain boundaries or at internal grains with respect to the nominal carbon doping ***,the use of atom probe tomography and transmission electron microscopy(TEM)unveils the influence of carbondoping contents on the structural properties of dual-phase Fe–17 Mn–x C(x=0–1.56 at%)steels,such as carbon segregation free energy at grain boundaries,carbon concentration in grain interior,interplanar D-spacings,and mean width of intrinsic stacking faults,which are essential for SFE *** next determined the Psfvalues by two different methods,viz.,reciprocal-space electron diffraction measurements and stacking fault width measurements in real-space TEM ***,SFEs in the Fe–17 Mn–x C systems were calculated on the basis of the generally-known SFE *** found that the high amount of carbon doping gives rise to the increased SFE from 8.6 to 13.5 m J/m^(2)with non-linear *** SFE trend varies inversely with the mean width of localized stacking faults,which pass through both other stacking faults and pre-existingε-martensite plates without much difficulty at their intersecting *** high amount of carbon doping acts twofold,through increasing the segregation free energy(due to more carbon at grain boundaries)and large lattice expansion(due to increased soluble carbon at internal grains).The experimental data obtained here strengthens the composition-

关键词： Stacking fault formation probability Stacking fault energy High-Mn steel Electron diffraction

Concordant Atrioventricular Connection to L-Looped Ventricles with the Left Ventricle on Top of the Right Ventricle in Situs Solitus:A Case Report with 3D Modelling and Printing

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Congenital Heart Disease 2022年第4期17卷 393-398页

作者： Mi Kyoung Song gi Beom Kim Woong Han Kim Whal Lee Eun-jung Bae Department of Pediatrics Seoul National University Children’s HospitalSeoul National University College of MedicineSeoulKorea Department of Thoracic and Cardiovascular Surgery Seoul National University Children’s HospitalSeoulKorea Department of Radiology and the Institute of Radiation Medicine Seoul National University HospitalSeoulKorea

We report the case of a rare complex cardiac anomaly involving situs solitus,concordant atrioventricular connection with left-hand ventricular topology,and L-looped *** ventricles had a superior-inferior relationship with an inferiorly located right ventricle,which had a double outlet with far posteriorly located great *** left atrium was elongated,with juxta-positioned atrial appendages on the right *** 3D-printed model using a computed tomography scan taken on the fourth day of birth demonstrated the anatomy clearly and helped us decide on the surgical management.

关键词： Double outlet right ventricle superior-inferior ventricle L-looped ventricles 3D printing

“One stone,two birds”solvent system to fabricate microcrystalline cellulose–Ti_(3)C_(2)T_(x)nanocomposite film as a flexible dielectric and thermally conductive material

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Nano Research 2023年第2期16卷 3240-3253页

作者： Yong-Zhu Yan Shuwei Li Sung Soo Park Wei-Jin Zhang Jun Seok Lee jung Rae Kim Dong gi Seong Chang-Sik Ha Department of Polymer Science and Engineering School of Chemical EngineeringPusan National UniversityBusan 46241Republic of Korea School of Chemical and Biomolecular Engineering Pusan National UniversityBusan 46241Republic of Korea Division of Advanced Materials Engineering Dong-Eui UniversityBusan 47340Republic of Korea

A strategy for fabricating microcrystalline cellulose–Ti_(3)C_(2)T_(x)(MCC–MXene)nanocomposite films with high relative permittivity,high thermal conductivity,and excellent mechanical properties was *** MCC–MXene nanocomposite film was fabricated by casting a solution containing N,N-dimethylacetamide/lithium chloride(DMAc/LiCl)-soluble MCC and DMAcdispersible MXene nanosheets,followed by humidity control *** MXene nanosheets greatly enhanced the permittivity of the nanocomposite films owing to interfacial ***,the nanocomposite film with 20 wt.%MXene content achieved a desirable permittivity of 71.4 at 102 Hz(a 770%improvement against that of neat cellulose),while the dielectric loss only increased by 1.8 times(from 0.39 to 0.70).The obtained nanocomposite films with 20 wt.%and 30 wt.%MXene exhibited remarkable in-plane thermal conductivities of 8.523 and 9.668 W∙m^(−1)∙K^(−1),respectively,owing to the uniform dispersion and selfalignment of the MXene layered ***,the uniformly dispersed MXene nanosheets in the MCC network with interfacial interaction(hydrogen bonding)and mechanical entanglement endowed the nanocomposite films with excellent mechanical properties and ***,the thermal stability,water resistance,and antibacterial properties of the nanocomposite films were effectively improved with the introduction of ***,using DMAc/LiCl as the solvent system not only improves the compatibility between MCC and MXene but also avoids the problem of easy oxidation of MXene in aqueous *** the high stability of the MCC–MXene solution and enhanced properties of the MCC–MXene films,the proposed strategy manifests great potential for fabricating natural biomass-based dielectric materials.

关键词： Ti_(3)C_(2)T_(x) microcrystalline cellulose flexible dielectric thermally conductive N,N-dimethylacetamide/lithium chloride(DMAc/LiCl) compatibility

A feasible route to produce 1.1 GPa ferritic-based low-Mn lightweight steels with ductility of 47%

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Journal of Materials Science & Technology 2022年第22期117卷 225-237页

作者： Kwang Kyu Ko Hyo Ju Bae Eun Hye Park Hyeon-Uk Jeong Hyoung Seok Park Jae Seok Jeong jung gi Kim Hyokyung Sung Nokeun Park Jae Bok Seol Department of Materials Engineering and Convergence Technology Center for K-metalGyeongsang National University(GNU)Jinju 52828South Korea School of Materials Science and Engineering Yeungnam UniversityGyeongbuk 38541South Korea Materials Research Team R&D Hyundai MobisYongin 16891South Korea Materials Technology Development Team Doosan Heavy Industries&ConstructionChangwon 51711South Korea

High- and medium-Mn (H/M-Mn) base lightweight steels are a class of ultrastrong structural materials with high ductility compared to their low-Mn counterparts with low strength and poor ***, producing these H/M-Mn materials requires the advanced or high-tech manufacturing techniques, which can unavoidably provoke labor and cost concerns. Herein, we have developed a facilestrategy that circumvents the strength–ductility trade-off in low-Mn ferritic lightweight steels, by employing low-temperature tempering-induced partitioning (LTP). This LTP treatment affords a typical Fe-2.8Mn-5.7Al-0.3C (wt.%) steel with a heterogeneous size-distribution of metastable austenite embeddedin a ferrite matrix for partitioning more carbon into smaller austenite grains than into the larger austenite ones. This size-dependent partitioning results in slip plane spacing modification and lattice strain,which act through dislocation engineering. We ascribe the simultaneous improvement in strength andtotal elongation to both the size-dependent dislocation movement in austenite grains and the controlleddeformation-induced martensitic transformation. The low-carbon-partitioned large austenite grains increase the strength and ductility as a consequence of the combined martensitic transformation andhigh dislocation density-induced hardening and by interface strengthening. Additionally, high-carbonpartitioned small austenite grains enhance the strength and ductility by planar dislocation glide (inthe low strain regime) and by cross-slipping and delayed martensitic transformation (in the high strainregime). The concept of size-dependent dislocation engineering may provide different pathways for developing a wide range of heterogeneous-structured low-Mn lightweight steels, suggesting that LTP maybe desirable for broad industrial applications at an economic cost.

关键词： Low-Mn lightweight steel Carbon partitioning Metastable austenite Dislocation movement